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NAMD 2.4

• In psfgen the readpsf command may introduce spurious data in the beta field of the read atoms. Fixed for future versions.
• The MOLLY method is broken. Fixed for future versions.

NAMD 2.3

NAMD 2.2

• NAMD will fail to write final output files when minimization is on. This has been present since version 2.2b2. The workaround is to use the Tcl scripting capability. Rather than specifying the parameters "minimization on" and "numsteps 1000", for example, make the last line in the file "minimize 1000". Fixed for future versions.
• At startup, on workstation networks, conv-host will occasionally report "rsh phase failed". This is fixed in newer versions of Converse which will be used in future versions of NAMD.

NAMD 2.2b3

NAMD 2.2b2

• Binary file (DCD trajectory and binary coordinate and velocity) reading and writing are broken on Windows only because files are opened in text mode. Fixed for future versions.
• NAMD will report "BUG ALERT: Bad global exclusion count!" and exit when nonbondedFreq is not one. Fixed for future versions.

NAMD 2.2b1

NAMD 2.1

• Very old CHARMM parameters that utilize an effective electron count rather than a well depth to specify nonbonded interactions will be misread and cause floating point exceptions (on some architectures) or grossly incorrect energies (if atoms of the affected types, which are usually noble gasses, are present in the system). These parameters are distinguished by the second number in the nonbonded specification being large and positive rather than small and negative (CHARMM format only). The next release will ignore these parameters and issue warnings.

NAMD 2.1b4

NAMD 2.1b3

• We have discovered a sporadic transmission bug in Converse which is exposed by compiling Charm++/Converse with recent GNU compilers on Intel platforms (Linux and Solaris-x86). This problem is fixed in the new 2.1b4 binaries.

NAMD 2.1b2

NAMD 2.1b1

• The Alpha binaries compiled with -fp_reorder, which were up for download until 9/23/99, incorrectly subtracted the center of mass velocity at the start of the simulation. This seems to be a compiler bug so a new binary was put up for download.
• When running minimization the maximumMove parameter is not set by default. You should manually set it to 1.0 or less. Fixed.
• Skips some nonbonded interactions if only last atom on patch is not fixed. Only happens in very unusual systems with fixed atoms. Fixed.
• On the T3E anything using random numbers explodes. Fixed.
• XSC and XST files written with vectors instead of floats. Fixed.
• Output files are not written when firstTimeStep != 0. Fixed.
• SMD, Tcl, and free energy don't deal with periodic boundaries. Fixed.
• Pressure incorrect when using MOLLY. Fixed.

NAMD 2.0

• FullDirect leaks memory and behaves oddly. Fixed.
• FreeEnergy chokes on whitespace and long input files. Fixed.

NAMD 2.0 beta 3

• Issues BUG ALERT and exits with fixed atoms. Fixed.

NAMD 2.0 beta 2

• Fails during startup on more that 28 processors under Linux. Fixed.
• Velocity rescaling prints messages but does nothing. Fixed.